2-(2-fluoro-4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethanone

C14H9F4NO — CID 11977140

IUPAC2-(2-fluoro-4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccnc(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F4NO/c15-13-7-9(4-5-19-13)6-12(20)10-2-1-3-11(8-10)14(16,17)18/h1-5,7-8H,6H2
InChIKeyQDEHTXSZSHCNQQ-UHFFFAOYSA-N
MW283.22 g/mol
LogP3.66
Rot. Bonds3

About 2-(2-fluoro-4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethanone

2-(2-fluoro-4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 11977140) has the molecular formula C14H9F4NO and a molecular weight of 283.22 g/mol. Its IUPAC name is 2-(2-fluoro-4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-fluoro-4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID11977140
Molecular FormulaC14H9F4NO
Molecular Weight283.22 g/mol
Exact Mass283.06
IUPAC Name2-(2-fluoro-4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccnc(F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H9F4NO/c15-13-7-9(4-5-19-13)6-12(20)10-2-1-3-11(8-10)14(16,17)18/h1-5,7-8H,6H2
InChIKeyQDEHTXSZSHCNQQ-UHFFFAOYSA-N
XLogP3.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(2-fluoro-4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethanone (CID 11977140) is 2-(2-fluoro-4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-fluoro-4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(2-fluoro-4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccnc(F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-fluoro-4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is QDEHTXSZSHCNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4NO/c15-13-7-9(4-5-19-13)6-12(20)10-2-1-3-11(8-10)14(16,17)18/h1-5,7-8H,6H2.
What are the key properties of 2-(2-fluoro-4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethanone?
2-(2-fluoro-4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 283.22 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 11977140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).